SCHEMBL31358739

SCHEMBL31358739

COc1ccc(-c2ccc(C=C3C(=O)c4ccccc4C3=O)o2)c([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.64
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
POLB P06746 7/20 0.64
CYP1A2 P05177 2/20 0.64
CYP3A4 P08684 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
GSK3B P49841 1/20 0.62
HPGD P15428 7/20 0.58
KDM4E B2RXH2 5/20 0.58
GAA P10253 3/20 0.58
MCL1 Q07820 3/20 0.58
THRB P10828 2/20 0.58
RECQL P46063 3/20 0.56
ALDH1A1 P00352 7/20 0.56
PKM P14618 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12999422 0.84 GSK3B (0.69) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358849 0.84 GSK3B (0.66) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358819 0.84 GSK3B (0.58) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358665 0.84 KMT2A (0.73) MAPTKMT2AMEN1POLBGSK3B
SCHEMBL31358780 0.83 KMT2A (0.57) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358744 0.83 KMT2A (0.57) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358680 0.83 KMT2A (0.58) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL3769626 0.82 GSK3B (0.72) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358800 0.82 KMT2A (0.60) MAPTKMT2AMEN1POLBCYP1A2
SCHEMBL31358851 0.80 KMT2A (0.59) MAPTKMT2AMEN1POLBCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2025-01-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250026741-A1 INHIBITORS OF THE ONCOGENIC SHP2 PHOSPHATASE AND USES THEREOF PTPN18, PTPN7, PTPN1 MAPT 4688/4885KMT2A 1043/4885MEN1 2467/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.